ChemSpider 2D Image | (1'S,2R,2'R,3a'S,4b'R,5S,5'S,5''S,6a'R,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-1',5,5'',9a',11a',12',20a',22a'-Octamethyl-3,3'',3a',4,4'',4b',5,5',5'',6,6',6'',
6a',7',9',9a',9b',10',11',11a',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a'-dotriacontahydrodispiro[pyran-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-2',2
''-pyran]-5,5',5'',11',11b',22',22b'(1'H,12' | C54H76N2O11

(1'S,2R,2'R,3a'S,4b'R,5S,5'S,5''S,6a'R,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-1',5,5'',9a',11a',12',20a',22a'-Octamethyl-3,3'',3a',4,4'',4b',5,5',5'',6,6',6'', 6a',7',9',9a',9b',10',11',11a',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a'-dotriacontahydrodispiro[pyran-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-2',2 ''-pyran]-5,5',5'',11',11b',22',22b'(1'H,12'

  • Molecular FormulaC54H76N2O11
  • Average mass929.188 Da
  • Monoisotopic mass928.544922 Da
  • ChemSpider ID9941037
  • defined stereocentres - 23 of 23 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1'S,2R,2'R,3a'S,4b'R,5S,5'S,5''S,6a'R,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-1',5,5'',9a',11a',12',20a',22a'-Octamethyl-3,3'',3a',4,4'',4b',5,5',5'',6,6',6'', 6a',7',9',9a',9b',10',11',11a',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a'-dotriacontahydrodispiro[pyran-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-2',2 ''-pyran]-5,5',5'',11',11b',22',22b'(1'H,12' [ACD/IUPAC Name]
Dispiro[2H-pyran-2,13'(2'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-2',2''-[2H]pyran]-5,5',5'',11',11'b,22',22'b(1'H,12'H)-heptol, 3,3'',3'a,4,4'',4'b,5,5',5'',6,6', 6'',6'a,7',9',9'a,9'b,10',11',11'a,14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a-dotriacontahydro-1',5,5'',9'a,11'a,12',20'a,22'a-octamethyl-, (1'S,2R,2'R,3a'S,4b'R,5S,5'S,5''S,6a'R,9a'S,9b'S, 11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a' [ACD/Index Name]
ritterazine J

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 246.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3477.96
ACD/KOC (pH 5.5): 11914.81
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3481.02
ACD/KOC (pH 7.4): 11925.29
Polar Surface Area: 204 Å2
Polarizability: 97.6±0.5 10-24cm3
Surface Tension: 75.8±5.0 dyne/cm
Molar Volume: 658.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement